2-[[1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C26H37N3O3S — CID 43013321

IUPAC2-[[1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCC(C)C(NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C26H37N3O3S/c1-19(2)26(23-12-10-22(11-13-23)21-6-4-3-5-7-21)29-18-25(30)28-17-16-20-8-14-24(15-9-20)33(27,31)32/h8-15,19,21,26,29H,3-7,16-18H2,1-2H3,(H,28,30)(H2,27,31,32)
InChIKeyLXUXDWNTDGVRKH-UHFFFAOYSA-N
MW471.67 g/mol
LogP4.03
Rot. Bonds10

About 2-[[1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-[[1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 43013321) has the molecular formula C26H37N3O3S and a molecular weight of 471.67 g/mol. Its IUPAC name is 2-[[1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[[1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID43013321
Molecular FormulaC26H37N3O3S
Molecular Weight471.67 g/mol
Exact Mass471.26
IUPAC Name2-[[1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCC(C)C(NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C26H37N3O3S/c1-19(2)26(23-12-10-22(11-13-23)21-6-4-3-5-7-21)29-18-25(30)28-17-16-20-8-14-24(15-9-20)33(27,31)32/h8-15,19,21,26,29H,3-7,16-18H2,1-2H3,(H,28,30)(H2,27,31,32)
InChIKeyLXUXDWNTDGVRKH-UHFFFAOYSA-N
XLogP4.03
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.67
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 8995556
N'-cyclohexyl-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide
CID 108942543
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747
2-(methanesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 112993993
2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-phenylethyl)acetamide
CID 18137513
2-[[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8995537
N-(cyclopropylmethyl)-2-[[2-methyl-1-(4-propylphenyl)propyl]amino]acetamide
CID 78841972
CID 67861960
CID 67861960
(2S)-2-amino-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 22690659
N-propyl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
CID 43226335
2-[(2R)-2-methylpiperidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2698032
2-[(3S)-3-methylpiperidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2099648

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-[[1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 43013321) is 2-[[1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[[1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[[1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is CC(C)C(NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 2-[[1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is LXUXDWNTDGVRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O3S/c1-19(2)26(23-12-10-22(11-13-23)21-6-4-3-5-7-21)29-18-25(30)28-17-16-20-8-14-24(15-9-20)33(27,31)32/h8-15,19,21,26,29H,3-7,16-18H2,1-2H3,(H,28,30)(H2,27,31,32).
What are the key properties of 2-[[1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-[[1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 471.67 g/mol, XLogP of 4.03, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 43013321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).